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0;10>i;++i)F=S-(S-N)/10*i,J=M-(M-n)/10*i,m=i/10,Y(g,I(H(Math.round(F+q*m))),I(H(Math.round(J-o*m))),I(H(Math.round(F-q*m))),I(H(Math.round(J+o*m))))}else Y(g,I(H(Math.round(S))),I(H(Math.round(M))),I(H(Math.round(N))),I(H(Math.round(n))))}}w=v(RC,k,-1,f.t+1,1);z=v(E,r,-1,f.t+1,1);for(h=1;h<=f.u;++h)i=f.H[h],m=f.I[h],l=f.J[i],n=f.J[m],++z[i],++z[m],w[i]=w[i]/z[i]+n/z[i],w[m]=w[m]/z[m]+l/z[m];oD(g,f.n.k);m=jz(f.n.n.d).b;M=v(gr,k,1,f.t+1,0);N=v(E,r,-1,f.t+1,1);n=v(E,r,-1,f.t+1,1);l=v(xF,k,94,f.t+1,0);
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o),q=Sz(f.n.n,i),N[h]=o,n[h]=q,q=l[h]=zF(f,h,o,q,m,S),S=q.d+1+1,o=q.e+m,Z(g,f.n.s),-1==f.k&&0!=f.c[h]&&Z(g,(eF(),iF)[f.c[h]]),uz(g,q.d,q.e,q.c,q.b),1==f.k?0!=f.c[h]?Z(g,(eF(),iF)[f.c[h]]):Z(g,(Fy(),Ly)):Z(g,(eF(),iB)[f.d[h]]),nD(g,i,S,o));for(i=1;i<=f.y;++i)h=f.q[i][0],o=N[h],q=n[h],S=I(H(aC(f.J[h]-o/2))),o=I(H(aC(f.M[h]+~~(m/2)-1))),Z(g,(Fy(),Py)),nD(g,da+f.q[i][1],S+q,o);if(0<f.D||0<f.E)if(Z(g,104==f.n.c?(Fy(),My):(Fy(),Ry)),0<f.D&&106!=f.n.c&&(q=l[f.D],mD(g,q.d,q.e,q.c,q.b)),0<f.E&&(i=f.H[f.E],
m=f.I[f.E],o=f.J[m]-f.J[i],z=f.M[m]-f.M[i],w=Math.sqrt(o*o+z*z),1>w&&(w=1),z/=w,w=o/w,q=(aa+1)*z,o=(aa+1)*w,J=v(E,r,-1,5,1),F=v(E,r,-1,5,1),J[0]=I(H(aC(f.J[i]+q))),J[1]=I(H(aC(f.J[m]+q))),F[0]=I(H(aC(f.M[i]-o))),F[1]=I(H(aC(f.M[m]-o))),J[3]=I(H(aC(f.J[i]-q))),J[2]=I(H(aC(f.J[m]-q))),F[3]=I(H(aC(f.M[i]+o))),F[2]=I(H(aC(f.M[m]+o))),J[4]=J[0],F[4]=F[0],106!=f.n.c&&(aa=g,h=J,z=F,jD(aa,!1),hD(aa,rD(aa,h,z,5,!0))),106==f.n.c&&AF(f,f.H[f.E],f.I[f.E]))){aa=0;for(h=1;h<=f.t;++h)0<f.b[h]&&++aa;if(aa>~~(f.t/
2))for(h=1;h<=f.t;++h)0<f.b[h]?f.b[h]=0:f.b[h]=1;Z(g,(Fy(),My));for(h=1;h<=f.t;++h)0<f.b[h]&&(q=l[h],mD(g,q.d,q.e,q.c,q.b))}}}a.x||(a.kb?(Z(e,(Fy(),Ky)),Y(e,c-1,0,c-1,b-1)):(Z(e,Ty(rB)),Y(e,c-1,0,c-1,b-1),Z(e,rB),Y(e,c-2,0,c-2,b-1),Z(e,gF),Y(e,c-3,0,c-3,b-1)));a.tb&&(d=~~((c-48)/2),Z(e,(Fy(),Py)),Y(e,d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.x&&(a.R=new hz(bc,0,a.C),a.U=new Rz(a.R),null!=a.ab&&(d=Sz(a.U,a.ab),c=I(H(Math.round((c-d)/2))),b-=a.C,
Z(e,(Fy(),Ly)),oD(e,a.R),nD(e,a.ab,c,b)));EC(a.Fb,a.bb,a.X,2*a.X+a.Q)}}
function tF(a,b,c,d,e){var f,g,h,i,l;f=~~(a.X/4);g=!1;i=v(E,r,-1,9,1);l=v(E,r,-1,9,1);c+=~~(a.X/2);d+=~~(a.X/2);a=~~(a.X/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)h=6.283185307179586/e*(f-0.5),i[f]=G(c+a*Math.sin(h)),l[f]=G(d+a*Math.cos(h));f=e+1;jD(b,!1);hD(b,rD(b,i,l,f,2<f));if(g){for(f=0;f<=e;++f)h=6.283185307179586/e*(f-0.5),i[f]=G(c+(a-3)*Math.sin(h)),l[f]=G(d+(a-3)*Math.cos(h));Y(b,i[0],l[0],i[1],l[1]);Y(b,i[2],l[2],i[3],l[3]);Y(b,i[4],l[4],i[5],l[5])}}
function BF(a){var b,c,d;if(a.jb){d=a.Cb.b;b=a.A.c;c=2*a.X+a.Q;Z(d,rB);uz(d,0,0,b,c);a.kb?(Z(d,(Fy(),Ky)),c=13*(a.X+a.Q),mD(d,c,0,b-c-1,2*a.X+a.Q-1)):(Z(d,Ty(rB)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),Z(d,gF),Y(d,0,0,b-1,0));c=a.c;233<=a.c&&262>=a.c&&(a.c=213);for(b=1;13>=b;++b)pF(a,d,b,1),pF(a,d,b,2);a.c=c;EC(a.Fb,a.Cb,0,0)}}
function rF(a,b,c,d,e){var f,g,h,i,l,m,n,o;l=~~(d/4);m=2+~~(l/2);g=2+l;o=c+~~(10*d/24);i=o+l;n=b+d;e?(h=2+b,f=m+b,g+=b):(f=n-m,h=n-2,g=n-g);Y(a,h,o,f,i);Y(a,g,o,f,i);h=~~(l/3);Y(a,f,o+h,f,i);f=d-m-4;i=270;e?(b+=m,e=270):(b=n-f-m,i*=-1,e=-90);iD(a,b,c+m-h,f,d-4-h-1,e,i)}
function RE(a,b){var c,d,e,f,g,h,i;vB(a);if(0==b.indexOf("$RXN")){a.tb=!0;a.fb=!0;g=CF(b);i=new VA(b,g,!0);d=j;for(c=1;5>=c;++c)d=DF(i,g);c=XB(CA(yn(d.substr(0,3)),10)).b;f=XB(CA(yn(d.substr(3,3)),10)).b;DF(i,g);for(d=1;d<=c+f;++d){for(e=j;!(h=DF(i,g),null==h||C(h,"$MOL"));)e+=h+g;a.cb[++a.ob]=new EF(a,e)}lF(a,1,c,1);lF(a,c+1,c+f,3)}else{a.tb=!1;a.Y=new EF(a,b);if(!a.Y||0==a.Y.t)return a.gb=!0,a.I="ERROR - problems in reading/processing MOL input",gB(a),!1;null!=a.i&&a.Y&&mB(a.Y,a.i,!0);null!=a.j&&
a.Y&&mB(a.Y,a.j,!1);g=FF(a.Y,!1);if(1==g)a.cb[++a.ob]=a.Y;else{a.fb=!0;for(d=1;d<=g;++d)a.cb[++a.ob]=new GF(a,a.Y,d)}a.e=1;a.Y=a.cb[a.e];lF(a,1,g,0)}gB(a);return!0}
function HF(a,b){var c,d,e,f,g,h,i,l;vB(a);c=f=0;l=new VA(b,"|>",!0);e=-1<b.indexOf(vb);h=1;g=OA(l);a.ob=0;for(d=1;d<=g;++d)if(i=SA(l),yn(i),!C(i,Vg))if(C(i,vb))++h,2==h?f=a.ob:3==h&&(c=a.ob+1);else{a.Y=new xB(a,i);if(0==a.Y.t)return a.gb=!0,a.I="ERROR - problems in reading/processing molecule !",oA(),!1;++a.ob;a.e=a.ob;a.cb[a.ob]=a.Y}if(2==h)return a.gb=!0,a.I="ERROR - strange reaction - fixing !",oA(),!1;if(3<h)return a.gb=!0,a.I="ERROR - strange reaction !",oA(),!1;1<a.ob&&!e&&fB(a,xf);e&&!a.tb&&
fB(a,Wf);!e&&a.tb&&fB(a,Bf);e?(lF(a,1,f,1),lF(a,f+1,c-1,2),lF(a,c,a.ob,3)):lF(a,1,a.ob,0);gB(a);return!0}function Sp(a,b){a.gb=!0;a.I=b}
function Wp(a,b){var c,d;if(0!=b){TC(a);c=a.c;a.c=b;if(300>=b)switch(a.jb=!0,a.hb=!0,b){case 102:nF(a);d=a.Z;d.b=d.c;d.c.d=null;break;case 110:a.ib=!0;a.c=c;a.Z.b!=a.Z.c&&a.Z.b.c!=a.Z.c?a.f&&(++a.ob,a.e=a.ob,a.f=!1):(a.gb=!0,a.I="No more undo");if(!(a.Z.b!=a.Z.c&&a.Z.b.c!=a.Z.c))break;d=a.Z;if(!(d.b!=d.c&&d.b.c!=d.c))throw new Et("Cannot undo. Index is out of range.");if(!d.b.c)throw new Et(ec);d.b=d.b.c;IF(a,d.b.b);a.ib=!0;break;case 111:a.c=c;if(a.Z.b.d)a.f&&(++a.ob,a.e=a.ob,a.f=!1);else{a.gb=!0;
a.I="No more redo";break}if(!a.Z.b.d)break;d=a.Z;if(!d.b.d)throw new Et("Cannot redo. Index is out of range.");if(!d.b.d)throw new Et(ec);d.b=d.b.d;IF(a,d.b.b);a.ib=!0;break;case 152:a.c=c;d=a.vb;0<d.b?(--d.b,d=Bs(d,d.b)):d=null;null==d?(a.gb=!0,a.I=qc):(Sp(a,jc+(a.vb.b+1)),d=cC(d),nB(a,d,!1));break;case 151:d=a.vb;d.b<d.d-1?(++d.b,d=Bs(d,d.b)):d=null;null==d?(a.gb=!0,a.I=qc):(Sp(a,jc+(a.vb.b+1)),d=cC(d),nB(a,d,!1));break;case 101:a.yb&&$E(a.yb);a.yb=new JF(1,a);a.c=c;break;case 107:!a.rb?a.rb=new KF(a):
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0<a.Y.E&&(a.ib=!0,PC(a.Y,a.Y.E),a.Y.E=0,VC(a));XC(a.Y);break;case 213:a.c=c;if(!a.D){var e,f,g,h;h=new Nz;for(d=a.F,e=0,f=d.length;e<f;++e)c=d[e],g=new Gz(c),Mz(h,g),g.d=c,cy(g.e,a);dx(a,h);a.D=h}YE(a.D.b,a,a.E.b,a.E.c)}else{a.hb=!0;a.jb=!0;switch(b){case 301:a.d=3;break;case 401:a.d=4;break;case 501:a.d=5;break;case 701:a.d=9;break;case 801:a.d=10;break;case 901:a.d=11;break;case 1001:a.d=12;break;case 601:a.d=8;break;case 1101:a.d=7;break;case 1300:a.d=1;break;case 1201:a.o&&($E(a.o),a.o=null);
0==a.Y.D&&(a.o=new JF(2,a));a.d=18;break;case 1301:a.d=19;break;case 1302:a.d=20;break;case 1303:a.d=21;break;case 1304:a.d=22}0<a.Y.D&&(a.ib=!0,a.d!=a.Y.d[a.Y.D]&&18!=a.d&&(a.Y.d[a.Y.D]=a.d,a.Y.A[a.Y.D]=0,a.Y.x[a.Y.D]=0,VC(a)),18==a.d&&(d=Ln((Tp(),Up).Tb.b.pb,Ng),MF(a.Y,a.Y.D,d),VC(a)),XC(a.Y))}gB(a)}}
function Pp(a){var b,c,d;d=zB(a);c=j;if(a.tb){var e,f,g;g=Wq([4,a.ob+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.ob;++b)LF(a.cb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(NF(g[1][0],3)+NF(g[3][0],3)+ba);for(b=1;b<=g[1][0];++b)c+=pa+OF(a.cb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=pa+OF(a.cb[g[3][b]],d)}else 1<a.ob&&(a.Y=new PF(a,a.cb,a.ob)),c=OF(a.Y,d),1<a.ob&&(a.Y=a.cb[a.e]);return c}
function LC(a,b,c,d){var e;e=c;var f=d,g,h;h=MC(b);g=0!=(b.f&2);h||g?(g=a.tb?(!a.v&&(a.v=cB(a,!0)),a.v):(!a.u&&(a.u=cB(a,!1)),a.u),YE(g.b,a,e,f),e=!0):e=!1;if(!e&&!a.x)if(a.gb=!1,a.Db=c-a.X,a.Eb=d-(2*a.X+a.Q),a.gb=!0,a.I=j,a.db=QC(b),a.eb=!1,c<a.X||d<2*a.X+a.Q){e=0;for(b=1;13>=b;++b)if(c<b*(a.X+a.Q)){e=b;break}c=0;for(b=1;b<=dB+2;++b)if(d<b*(a.X+a.Q)){c=b;break}0==e||0==c||(d=100*c+e,112==d||!a.qb&&107==d||!a.Ab&&201==d||!a.fb&&103==d||!a.nb&&!a.q&&105==d||!a.tb&&109==d||Wp(a,d))}else if(!(d>a.A.b-
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a.J[c])*f&&(l=-l);0<b&&0>l?l=-l:0>b&&0<l&&(l=-l);a.J[a.t]=a.J[c]+i*e-l*f;a.M[a.t]=a.M[c]+l*e+i*f;break;case 2:c=v(RC,k,-1,2,1);jG(a,a.D,25*a.n.z,c);a.J[a.t]=c[0];a.M[a.t]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.z[a.D]&&!(c=a.G[a.D][g],e=a.J[a.D]-a.J[c],f=a.M[a.D]-a.M[c],h=Math.sqrt(e*e+f*f),0.001>h&&(h=0.001),a.J[a.t]=a.J[a.D]+25*a.n.z*e/h,a.M[a.t]=a.M[a.D]+25*a.n.z*f/h,0==NC(a,a.t)||g==a.z[a.D]);++g);break;default:--a.t;Sp(a.n,"Are you trying to draw an hedgehog ?");a.n.N=9;return}a.z[a.t]=
1;++a.z[a.D];UC(a);a.s[a.u]=1;203==a.n.c&&(a.s[a.u]=2);204==a.n.c&&(a.s[a.u]=3);a.H[a.u]=a.D;a.I[a.u]=a.t;201==a.n.c&&UF(a,a.u);a.G[a.t][1]=a.D;a.G[a.D][a.z[a.D]]=a.t;a.K[a.u]=I(H(aC((a.J[a.D]+a.J[a.t])/2)));a.N[a.u]=I(H(aC((a.M[a.D]+a.M[a.t])/2)));a.L=a.J[a.t];a.O=a.M[a.t]}
function SF(a,b){var c;a.F=a.D;c=0;if(233==a.n.c||237==a.n.c||236==a.n.c||239==a.n.c||251==a.n.c||252==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.p=!1,a.D=a.t-1,X(a,0),a.D=a.t-2,X(a,0),237==a.n.c&&(a.d[a.t]=10,a.d[a.t-1]=10,a.d[a.t-2]=10),236==a.n.c&&(a.d[a.t]=9,a.d[a.t-1]=9,a.d[a.t-2]=9),239==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-2]=5,a.d[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),252==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-2]=4,a.d[a.t-3]=8,a.s[a.u]=2,a.s[a.u-1]=2),251==a.n.c&&(a.d[a.t]=5,a.d[a.t-1]=5,a.d[a.t-
2]=5,a.d[a.t-3]=7,a.s[a.u]=2),c=4;else if(244==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.d[a.t]=8,a.D=a.t,a.p=!0,X(a,0),a.p=!1,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,a.D=a.t-2,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=5;else if(234==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,a.n.pb&&QF(a,a.D,1),X(a,0),a.d[a.t]=5,a.s[a.u]=2,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.n.pb?(a.s[a.u]=1,QF(a,a.t,-1)):a.s[a.u]=2,c=3;else if(235==a.n.c)X(a,0),a.D=a.t,X(a,0),a.d[a.t]=5,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(240==a.n.c)X(a,0),a.D=
a.t,X(a,0),a.d[a.t]=5,a.D=a.t,X(a,0),a.D=a.t-2,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=4;else if(260==a.n.c)X(a,0),a.D=a.t,X(a,0),a.d[a.t]=4,a.D=a.t-1,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(261==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.d[a.t]=5,a.s[a.u]=2,c=3;else if(241==a.n.c)X(a,0),a.d[a.t]=5,a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.D=a.t-1,X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=4;else if(243==a.n.c)X(a,0),a.d[a.t]=4,a.D=a.t,X(a,0),a.D=a.t-1,X(a,0),c=3;else if(238==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.s[a.u]=
3,a.p=!1,c=2;else if(249==a.n.c)X(a,0),a.D=a.t,X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=2;else if(250==a.n.c)X(a,0),a.s[a.u]=2,a.d[a.t]=5,c=1;else if(245==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.D=a.t,a.s[a.u]=3,X(a,0),a.p=!1,c=3;else if(242==a.n.c)X(a,0),a.D=a.t,a.p=!0,X(a,0),a.s[a.u]=3,a.d[a.t]=4,a.p=!1,c=2;else if(254==a.n.c)X(a,0),a.d[a.t]=9,c=1;else if(255==a.n.c)X(a,0),a.d[a.t]=10,c=1;else if(256==a.n.c)X(a,0),a.d[a.t]=11,c=1;else if(257==a.n.c)X(a,0),a.d[a.t]=12,c=1;else if(258==a.n.c)X(a,0),a.d[a.t]=4,
c=1;else if(259==a.n.c)X(a,0),a.d[a.t]=5,c=1;else if(246==a.n.c)X(a,0),a.D=a.t,X(a,0),c=2;else if(247==a.n.c)X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),c=3;else if(248==a.n.c)X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),a.D=a.t,X(a,0),c=4;else if(253==a.n.c){var d,e,f,g,h,i,l,m,n,o,q;if(a.n.Bb){c=0;m=a.n.Bb;for(l=1;l<=m.y;++l)d=m.q[l][0],1==m.q[l][1]&&(c=d);d=a.t;l=a.D;X(a,0);e=a.J[a.t];g=a.M[a.t];OC(a,a.t);e=a.J[l]-e;g=a.M[l]-g;i=Math.sqrt(e*e+g*g);g/=i;e/=i;for(i=1;i<=m.t;++i)VF(a),a.d[a.t]=m.d[i],a.A[a.t]=m.A[i],
a.x[a.t]=m.x[i],a.J[a.t]=m.J[i],a.M[a.t]=m.M[i];for(i=1;i<=m.u;++i)UC(a),a.H[a.u]=m.H[i]+d,a.I[a.u]=m.I[i]+d,a.s[a.u]=m.s[i];yB(a);a.D=c+d;X(a,0);m=a.J[a.t];o=a.M[a.t];OC(a,a.t);f=a.J[c+d]-m;h=a.M[c+d]-o;i=Math.sqrt(f*f+h*h);h/=i;f/=i;for(i=d+1;i<=a.t;++i)a.J[i]-=m,a.M[i]-=o,n=a.J[i]*f+a.M[i]*h,q=a.M[i]*f-a.J[i]*h,a.J[i]=n,a.M[i]=q,n=-a.J[i]*e+a.M[i]*g,q=-a.M[i]*e-a.J[i]*g,a.J[i]=n,a.M[i]=q,a.J[i]+=a.J[l],a.M[i]+=a.M[l];UC(a);a.H[a.u]=l;a.I[a.u]=c+d;yB(a);b&&(OC(a,l),mF(a))}c=4}kG(a,c);a.D=a.F;b&&
(a.D=0)}
function jG(a,b,c,d){var e,f,g,h,i;e=a.G[b][1];f=a.G[b][2];g=a.J[f]-a.J[e];h=-(a.M[f]-a.M[e]);i=Math.sqrt(g*g+h*h);0.001>i&&(i=0.001);h/=i;g/=i;1>(0>=(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h?0-((a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h):(a.M[b]-a.M[e])*g+(a.J[b]-a.J[e])*h)?(g=a.J[b]-a.J[e],h=a.M[b]-a.M[e],i=Math.sqrt(g*g+h*h),0.001>i&&(i=0.001),h/=i,g/=i,d[0]=a.J[e]+i*g-c*h,d[1]=a.M[e]+c*g+i*h):(g=(a.J[e]+a.J[f])/2,e=(a.M[e]+a.M[f])/2,g=a.J[b]-g,h=a.M[b]-e,i=Math.sqrt(g*g+h*h),0.001>i&&(i=0.001),d[0]=a.J[b]+
c*g/i,d[1]=a.M[b]+c*h/i)}
function RF(a){var b,c,d,e,f,g,h,i,l,m,n,o,q;l=-1;h=6;switch(a.n.c){case 206:h=3;break;case 207:h=4;break;case 208:case 221:case 223:h=5;break;case 210:case 209:h=6;break;case 211:h=7;break;case 212:h=8;break;case 229:h=9}f=6.283185307179586/h;i=625*a.n.z*a.n.z/2/(1-Math.cos(f));i=Math.sqrt(i);if(0<a.D)if(2>a.z[a.D])lG(a,h,f,i);else if(a.n.db){if(209==a.n.c||221==a.n.c||223==a.n.c){Sp(a.n,"ERROR - cannot add aromatic spiro ring !");a.n.N=9;return}for(d=1;d<=a.z[a.D];++d)if(b=a.s[iG(a,a.D,a.G[a.D][d])],
2<d||1!=b){Sp(a.n,"ERROR - spiro ring not possible here !");a.n.N=9;return}b=v(RC,k,-1,2,1);jG(a,a.D,i,b);e=a.J[a.D]-b[0];g=a.M[a.D]-b[1];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;for(d=1;d<=h;++d)VF(a),n=f*d+1.5707963267948966,a.J[a.t]=b[0]+i*(Math.sin(n)*e-Math.cos(n)*g),a.M[a.t]=b[1]+i*(Math.cos(n)*e+Math.sin(n)*g)}else l=a.D,X(a,0),a.D=a.t,lG(a,h,f,i);else if(0<a.E){b=a.H[a.E];c=a.I[a.E];d=0;2==a.z[b]?a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]:2==a.z[c]&&(a.G[c][1]!=b?d=a.G[c][1]:d=a.G[c][2],
m=b,b=c,c=m);0==d&&(a.G[b][1]!=c?d=a.G[b][1]:d=a.G[b][2]);e=a.J[c]-a.J[b];g=a.M[c]-a.M[b];m=Math.sqrt(e*e+g*g);0.001>m&&(m=0.001);g/=m;e/=m;n=m/2;q=i*Math.sin(0.5*(3.141592653589793-f));m=1;0<(a.M[d]-a.M[b])*e-(a.J[d]-a.J[b])*g&&(q=-q,m=0);o=a.J[b]+n*e-q*g;q=a.M[b]+q*e+n*g;for(d=1;d<=h;++d)VF(a),n=f*(d+0.5)+3.141592653589793*m,a.J[a.t]=o+i*(Math.sin(n)*e-Math.cos(n)*g),a.M[a.t]=q+i*(Math.cos(n)*e+Math.sin(n)*g),1==m?(d==h&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==h-1&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c])):
(d==h-1&&(a.J[a.t]=a.J[b],a.M[a.t]=a.M[b]),d==h&&(a.J[a.t]=a.J[c],a.M[a.t]=a.M[c]))}else{b=0.5;6==h&&(b=0);for(d=1;d<=h;++d)VF(a),n=f*(d-b),a.J[a.t]=a.L+i*Math.sin(n),a.M[a.t]=a.O+i*Math.cos(n)}b=h;i=0;for(f=1;f<=b;++f)UC(a),a.s[a.u]=1,i=a.t-b+f,a.z[i]=2,a.H[a.u]=i,a.I[a.u]=i+1;a.I[a.u]=a.t-b+1;if(209==a.n.c){if(a.s[a.u-4]=2,a.s[a.u-2]=2,a.s[a.u]=2,0<a.E)if(1==a.s[a.E]){if(b=0,1<a.z[a.H[a.E]]&&(b=a.G[a.H[a.E]][1],i=a.H[a.E],b==a.I[a.E]&&(b=a.G[a.H[a.E]][2])),0==b&&1<a.z[a.I[a.E]]&&(b=a.G[a.I[a.E]][1],
i=a.I[a.E],b==a.I[a.E]&&(b=a.G[a.I[a.E]][2])),0<b)for(f=1;f<=a.u;++f)if(a.H[f]==b&&a.I[f]==i||a.H[f]==i&&a.I[f]==b){1!=a.s[f]&&(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=3);break}}else a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-5]=2,a.s[a.u-3]=2,a.s[a.u-1]=2}else if(221==a.n.c||223==a.n.c)if(0<a.E){if(1==a.s[a.E]){b=!1;for(f=1;f<=a.z[a.H[a.E]];++f)if(i=a.G[a.H[a.E]][f],1<a.s[iG(a,a.H[a.E],i)]){b=!0;break}for(f=1;f<=a.z[a.I[a.E]];++f)if(i=a.G[a.I[a.E]][f],1<a.s[iG(a,
a.I[a.E],i)]){b=!0;break}b||(a.s[a.E]=2)}a.s[a.u-4]=2;a.d[a.t-2]=5}else 0<a.D?221==a.n.c?(a.s[a.u-4]=1,a.s[a.u-2]=1,a.s[a.u-1]=1,a.s[a.u-3]=2,a.s[a.u]=2,a.d[a.t-1]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.d[a.t-2]=5):(a.s[a.u-3]=1,a.s[a.u-2]=1,a.s[a.u]=1,a.s[a.u-4]=2,a.s[a.u-1]=2,a.d[a.t-2]=5);i=v(E,r,-1,a.t+1,1);for(f=1;f<=h;++f)b=a.t-h+f,c=a.u-h+f,a.G[b][1]=b-1,a.G[b][2]=b+1,b=a.H[c],e=a.I[c],a.K[c]=I(H(aC((a.J[b]+a.J[e])/2))),a.N[c]=I(H(aC((a.M[b]+a.M[e])/2)));a.G[a.t-
h+1][1]=a.t;a.G[a.t][2]=a.t-h+1;for(f=a.t-h+1;f<=a.t;++f){i[f]=0;g=51;c=0;for(b=1;b<=a.t-h;++b)e=a.J[f]-a.J[b],d=a.M[f]-a.M[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.D||c==a.D)&&(i[f]=c)}g=a.u-h;f=g+1;a:for(;f<=g+h;++f)if(b=a.H[f],e=a.I[f],0<i[b]&&0<i[e]){for(c=1;c<=g;++c)if(a.H[c]==i[b]&&a.I[c]==i[e]||a.I[c]==i[b]&&a.H[c]==i[e])continue a;UC(a);a.s[a.u]=a.s[f];a.H[a.u]=i[b];a.G[i[b]][++a.z[i[b]]]=i[e];a.I[a.u]=i[e];a.G[i[e]][++a.z[i[e]]]=i[b];a.K[a.u]=I(H(aC((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2)));
a.N[a.u]=I(H(aC((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))}else 0<i[b]?(UC(a),a.s[a.u]=a.s[f],a.H[a.u]=i[b],a.G[i[b]][++a.z[i[b]]]=e,a.I[a.u]=e,a.G[e][++a.z[e]]=i[b],a.K[a.u]=I(H(aC((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=I(H(aC((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2)))):0<i[e]&&(UC(a),a.s[a.u]=a.s[f],a.H[a.u]=i[e],a.G[i[e]][++a.z[i[e]]]=b,a.I[a.u]=b,a.G[b][++a.z[b]]=i[e],a.K[a.u]=I(H(aC((a.J[a.H[a.u]]+a.J[a.I[a.u]])/2))),a.N[a.u]=I(H(aC((a.M[a.H[a.u]]+a.M[a.I[a.u]])/2))));d=a.t-h;for(f=a.t;f>d;--f)if(0<i[f]&&
(OC(a,f),3==a.d[i[f]])){m=0;for(b=1;b<=a.z[i[f]];++b){e=a.G[i[f]][b];for(c=1;c<=a.u;++c)(a.H[c]==i[f]&&a.I[c]==e||a.H[c]==e&&a.I[c]==i[f])&&(m+=a.s[c])}if(4<m)for(c=g+1;c<=g+h;++c)a.s[c]=1}0<a.D&&kG(a,h);-1<l&&(a.D=l)}
function lG(a,b,c,d){var e,f,g,h,i,l;0==a.z[a.D]?(e=0,f=1):(e=a.G[a.D][1],f=a.J[a.D]-a.J[e],e=a.M[a.D]-a.M[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);i=a.J[a.D]+d*f;l=a.M[a.D]+d*e;for(g=1;g<=b;++g)VF(a),h=c*g-1.5707963267948966,a.J[a.t]=i+d*(Math.sin(h)*f-Math.cos(h)*e),a.M[a.t]=l+d*(Math.cos(h)*f+Math.sin(h)*e)}function kG(a,b){var c,d;0==b&&(b=a.t);for(c=a.t;c>a.t-b;--c)d=NC(a,c),0!=d&&(a.J[c]+=6,a.M[c]+=6)}
function iG(a,b,c){var d;for(d=1;d<=a.u;++d)if(a.H[d]==b&&a.I[d]==c||a.H[d]==c&&a.I[d]==b)return d;return 0}function mG(a,b,c){var d,e,f,g;e=Wg;for(f=g=0;;){++g;for(d=1;d<=a.t;++d)if(Hr(c[d])){e=c[d];break}for(d=1;d<=a.t;++d)Hr(c[d])&&!wr(c[d],e)&&(e=c[d]);for(d=1;d<=a.t;++d)Br(c[d],e)&&(b[d]=g,c[d]=Wg,++f);if(f==a.t)break}return g==a.t}
function mF(a){var b,c,d;b=v(RC,k,-1,4,1);d=c=0;a.n&&a.n.A&&0<a.n.A.c&&(c=a.n.A.c-a.n.X,d=a.n.A.b-3*a.n.X);if(0>=c||0>=d)a.w=!0;else{SC(a,b);c=~~(c/2)-I(H(Math.round(b[0])));d=~~(d/2)-I(H(Math.round(b[1])));if(!a.n.mb)for(b=1;b<=a.t;++b)a.J[b]+=c,a.M[b]+=d;WC(a)}}
function SC(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.t;++c)a.J[c]<f&&(f=a.J[c]),a.J[c]>d&&(d=a.J[c]),a.M[c]<g&&(g=a.M[c]),a.M[c]>e&&(e=a.M[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
function QF(a,b,c){var d;if(1==c)++a.A[b];else if(-1==c)--a.A[b];else switch(d=nG(a,b),-1==d&&0==c&&(0==a.A[b]?a.A[b]=1:1==a.A[b]?a.A[b]=-1:-1==a.A[b]&&(a.A[b]=0)),a.d[b]){case 2:2<d&&Sp(a.n,"Charge change not possible on this boron !");0==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0);break;case 3:3<d?Sp(a.n,"Charge change not possible on this carbon !"):4>d&&(0==a.A[b]?a.A[b]=-1:-1==a.A[b]?a.A[b]=1:1==a.A[b]&&(a.A[b]=0));break;case 4:case 7:3<d?Sp(a.n,"Charge change not possible on multibonded N or P !"):
3==d&&0==a.A[b]?a.A[b]=1:3==d&&1==a.A[b]?a.A[b]=0:3>d&&0==a.A[b]?a.A[b]=1:3>d&&1==a.A[b]?a.A[b]=-1:3>d&&-1==a.A[b]&&(a.A[b]=0);break;case 5:case 8:case 13:2<d?Sp(a.n,"Charge change not possible on multibonded O or S !"):2==d&&0==a.A[b]?a.A[b]=1:2==d&&1==a.A[b]?a.A[b]=0:2>d&&0==a.A[b]?a.A[b]=-1:2>d&&-1==a.A[b]?a.A[b]=1:2>d&&1==a.A[b]&&(a.A[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.A[b]?a.A[b]=-1:0==d&&-1==a.A[b]?a.A[b]=0:Sp(a.n,"Charge change not possible on the halogen !");break;case 18:Sp(a.n,
"Use X button to change charge on the X atom !")}}
function FF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=v(E,r,-1,a.t+1,1);;){for(e=1;e<=a.t;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=v(E,r,-1,f+1,1);for(c=1;c<=a.t;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.t;1<=c;--c)a.b[c]!=d&&OC(a,c);mF(a);Sp(a.n,"Smaller part(s) removed !");return 1}
function NC(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.t;++e)b!=e&&(c=a.J[b]-a.J[e],d=a.M[b]-a.M[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
function YC(a){var b,c,d;for(d=1;d<=a.u;++d){b=a.H[d];c=a.I[d];if(1==a.A[b]&&-1==a.A[c]||-1==a.A[b]&&1==a.A[c])if(1==a.s[d]||2==a.s[d]){if(3!=a.d[b]&&3!=a.d[c]&&a.n.pb)continue;if(1==a.d[b]||1==a.d[c])continue;if(2==a.d[b]||2==a.d[c])continue;if(9==a.d[b]||10==a.d[b]||11==a.d[b]||12==a.d[b]||9==a.d[c]||10==a.d[c]||11==a.d[c]||12==a.d[c])continue;a.A[b]=0;a.A[c]=0;++a.s[d];XC(a)}1==a.A[b]&&1==a.A[c]&&(2==a.s[d]?a.s[d]=1:3==a.s[d]&&(a.s[d]=2),XC(a));4==a.s[d]&&(a.s[d]=1)}}
function hG(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function yB(a){var b;oG(a);b=a.s.length;a.K=v(E,r,-1,b,1);a.N=v(E,r,-1,b,1);WC(a);XC(a)}
function VF(a){var b,c;++a.t;a.t>a.d.length-1&&(c=a.d.length+10,b=v(E,r,-1,c,1),iC(a.d,b,a.d.length),a.d=b,b=v(E,r,-1,c,1),iC(a.A,b,a.A.length),a.A=b,b=v(E,r,-1,c,1),iC(a.x,b,a.x.length),a.x=b,b=v(E,r,-1,c,1),iC(a.c,b,a.c.length),a.c=b,b=v(gr,k,1,c,0),iC(a.e,b,a.e.length),a.e=b,b=v(gr,k,1,c,0),iC(a.o,b,a.o.length),a.o=b,b=v(RC,k,-1,c,1),iC(a.J,b,a.J.length),a.J=b,b=v(RC,k,-1,c,1),iC(a.M,b,a.M.length),a.M=b,b=Wq([c,7]),iC(a.G,b,a.G.length),a.G=b,c=v(E,r,-1,c,1),iC(a.z,c,a.z.length),a.z=c);a.d[a.t]=
3;a.A[a.t]=0;a.c[a.t]=0;a.e[a.t]=null;a.x[a.t]=0}function zF(a,b,c,d,e,f){var g;g=I(H(aC(a.J[b]-c/2)));f||(g-=d-c);a=I(H(aC(a.M[b]-~~(e/2))));return new Mx(g-1-1,a-1,d+1+2,e+2)}
function UC(a){var b,c;++a.u;a.u>a.s.length-1&&(b=a.s.length+10,c=v(E,r,-1,b,1),iC(a.H,c,a.H.length),a.H=c,c=v(E,r,-1,b,1),iC(a.I,c,a.I.length),a.I=c,c=v(E,r,-1,b,1),iC(a.s,c,a.s.length),a.s=c,c=v(E,r,-1,b,1),iC(a.B,c,a.B.length),a.B=c,c=v(E,r,-1,b,1),iC(a.K,c,a.K.length),a.K=c,c=v(E,r,-1,b,1),iC(a.N,c,a.N.length),a.N=c,b=v(gr,k,1,b,0),iC(a.f,b,a.f.length),a.f=b);a.s[a.u]=1;a.B[a.u]=0;a.f[a.u]=null}
function OF(a,b){var c,d,e,f,g,h,i;if(0==a.t)return j;h=b;79<b.length&&(h=b.substr(0,76)+"...");h+=(eF(),ba);h+="JME 2013.01 "+new vC+"\n \n";h+=NF(a.t,3)+NF(a.u,3);h+="  0  0  0  0  0  0  0  0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.t;++e)a.M[e]>g&&(g=a.M[e]),a.J[e]<c&&(c=a.J[e]);for(e=1;e<=a.t;++e){h+=XF(0.055999999999999994*(a.J[e]-c),10,4)+XF(0.055999999999999994*(g-a.M[e]),10,4)+XF(0,10,4);i=yF(a,e);1==i.length?i+="  ":2==i.length?i+=da:3<i.length&&(i="Q  ");
h+=da+i;d=0;0<a.A[e]&&4>a.A[e]?d=4-a.A[e]:0>a.A[e]&&-4<a.A[e]&&(d=4-a.A[e]);i=" 0"+NF(d,3)+"  0  0  0  0  0  0  0";f=-1;for(d=1;d<=a.y;++d)if(a.q[d][0]==e){f=a.q[d][1];break}-1<f?i+=NF(f,3):i+="  0";h+=i+"  0  0\n"}for(e=1;e<=a.u;++e)g=a.s[e],1==a.s[e]?g=1:pG(a,e)&&(g=2),c=NF(a.H[e],3)+NF(a.I[e],3),d=0,1==a.s[e]&&1==a.B[e]?d=1:1==a.s[e]&&2==a.B[e]&&(d=6),1==a.s[e]&&3==a.B[e]&&(d=1,c=NF(a.I[e],3)+NF(a.H[e],3)),1==a.s[e]&&4==a.B[e]&&(d=6,c=NF(a.I[e],3)+NF(a.H[e],3)),h+=c+NF(g,3)+NF(d,3)+"  0  0  0\n";
for(e=1;e<=a.t;++e)0!=a.A[e]&&(h+="M  CHG  1"+NF(e,4)+NF(a.A[e],4)+ba);return h+"M  END\n"}
function YF(a){var b,c,d,e,f,g,h,i,l,m,n,o,q,w,F,z,J,N,S,aa,M,ic,zc,Rf,lb,Hd,Id,Jd,Ta,Ac;n=v(E,r,-1,a.t+10,1);o=v(E,r,-1,a.t+10,1);l=v(E,r,-1,a.t+1,1);m=v(E,r,-1,7,1);lb=v(E,r,-1,a.t+1,1);w=v(qG,k,-1,a.t+1,2);F=v(qG,k,-1,a.u+1,2);ic=0;if(0==a.t)return j;FF(a,!0);Rf=!0;for(i=1;i<=a.u;++i)if(9==a.s[i]){Rf=!1;break}if(a.n.r&&Rf){rG(a);YC(a);sG(a,F);tG(a,w,F);var wb,nd,We,Ub,qe,od,pd,ab,ZG,Md,t,sa,ym,zm,fs,df,La,Am,Bm,Ec,Cm;wb=v(E,r,-1,a.t+1,1);nd=v(E,r,-1,a.t+1,1);ab=v(uG,k,-1,a.t+1,3);var gs=a.t,Dm,
nh,hs,gg,kj,xe,ef;kj=v(uG,k,-1,gs+2,3);xe=v(E,r,-1,100,1);ef=5;gg=0;xe[0]=3;kj[1]=Yg;kj[2]=Zg;hs=2;if(!(3>gs))for(;ef<xe[gg]*xe[gg];){nh=0;for(Dm=!0;Dm&&nh<=gg&&ef>=xe[nh]*xe[nh];)0==ef%xe[nh]?Dm=!1:++nh;if(Dm){kj[++hs]=Er(ef);if(hs>=gs)break;gg<xe.length-1&&(++gg,xe[gg]=ef)}ef+=2}for(t=1;t<=a.t;++t){for(sa=Bm=1;sa<=a.u;++sa)(a.H[sa]==t||a.I[sa]==t)&&(Bm*=a.i[sa]);Am=a.d[t];18==Am&&(Cm=a.o[t],od=Cm.charCodeAt(0)-65+1,pd=0,1<Cm.length&&(pd=Cm.charCodeAt(1)-97),0>od&&(od=0),0>pd&&(pd=0),Am=28*od+pd);
df=0;-2>a.A[t]?df=1:-2==a.A[t]?df=2:-1==a.A[t]?df=3:1==a.A[t]?df=4:2==a.A[t]?df=5:2<a.A[t]&&(df=6);Ec=1;ab[t]=Er(Bm);Ec*=126;ab[t]=zr(ab[t],Er(a.x[t]*Ec));Ec*=7;ab[t]=zr(ab[t],Er(df*Ec));Ec*=7;ab[t]=zr(ab[t],Er(Am*Ec));Ec*=783;ab[t]=zr(ab[t],Er(a.z[t]*Ec))}for(qe=0;!mG(a,wb,ab);){fs=!1;for(t=1;t<=a.t;++t)wb[t]!=nd[t]&&(nd[t]=wb[t],fs=!0);if(fs){for(t=1;t<=a.t;++t){ab[t]=Xg;for(sa=1;sa<=a.z[t];++sa)ab[t]=Ir(ab[t],kj[wb[a.G[t][sa]]])}qe=0}else if(0<qe){for(t=1;t<=a.t;++t)ab[t]=Xg;t=1;a:for(;t<=a.t-
1;++t)for(sa=t+1;sa<=a.t;++sa)if(wb[t]==wb[sa]){ab[t]=Yg;break a}}else{for(t=1;t<=a.t;++t){ab[t]=Xg;for(sa=1;sa<=a.z[t];++sa)We=a.G[t][sa],ab[t]=Ir(ab[t],Er(a.d[We]*a.i[iG(a,t,We)]))}qe=1}mG(a,wb,ab);for(t=1;t<=a.t;++t)ab[t]=Er(nd[t]*a.t+wb[t])}for(t=1;t<=a.t;++t)nd[t]=wb[t];for(La=1;La<=a.t;++La)for(t=1;t<=a.t;++t)if(nd[t]==La){a.d[0]=a.d[t];a.A[0]=a.A[t];a.J[0]=a.J[t];a.M[0]=a.M[t];a.z[0]=a.z[t];a.d[t]=a.d[La];a.A[t]=a.A[La];a.J[t]=a.J[La];a.M[t]=a.M[La];a.z[t]=a.z[La];a.d[La]=a.d[0];a.A[La]=a.A[0];
a.J[La]=a.J[0];a.M[La]=a.M[0];a.z[La]=a.z[0];nd[t]=nd[La];nd[La]=La;a.o[0]=a.o[t];a.o[t]=a.o[La];a.o[La]=a.o[0];a.c[0]=a.c[t];a.c[t]=a.c[La];a.c[La]=a.c[0];a.e[0]=a.e[t];a.e[t]=a.e[La];a.e[La]=a.e[0];a.x[0]=a.x[t];a.x[t]=a.x[La];a.x[La]=a.x[0];break}for(t=1;t<=a.y;++t)a.q[t][0]=wb[a.q[t][0]];for(t=1;t<=a.u;++t)a.H[t]=wb[a.H[t]],a.I[t]=wb[a.I[t]],a.H[t]>a.I[t]&&(Md=a.H[t],a.H[t]=a.I[t],a.I[t]=Md,1==a.B[t]?a.B[t]=3:2==a.B[t]?a.B[t]=4:3==a.B[t]?a.B[t]=1:4==a.B[t]&&(a.B[t]=2));for(t=1;t<a.u;++t){zm=ym=
a.t;Ub=0;for(sa=t;sa<=a.u;++sa)a.H[sa]<ym?(ym=a.H[sa],zm=a.I[sa],Ub=sa):a.H[sa]==ym&&a.I[sa]<zm&&(zm=a.I[sa],Ub=sa);Md=a.H[t];a.H[t]=a.H[Ub];a.H[Ub]=Md;Md=a.I[t];a.I[t]=a.I[Ub];a.I[Ub]=Md;Md=a.s[t];a.s[t]=a.s[Ub];a.s[Ub]=Md;Md=a.B[t];a.B[t]=a.B[Ub];a.B[Ub]=Md;ZG=a.f[t];a.f[t]=a.f[Ub];a.f[Ub]=ZG}yB(a);XC(a);sG(a,F);tG(a,w,F)}else{sG(a,F);a.i=v(E,r,-1,a.u+1,1);for(q=1;q<=a.u;++q)a.i[q]=a.s[q]}c=1;a.b=v(E,r,-1,a.t+1,1);Ac=1;a.b[1]=1;for(aa=0;;){M=0;for(q=1;q<=a.z[c];++q)if(g=a.G[c][q],0<a.b[g]){if(!(a.b[g]>
a.b[c])&&g!=lb[c]){zc=!0;for(J=1;J<=ic;++J)if(n[J]==c&&o[J]==g||n[J]==g&&o[J]==c){zc=!1;break}zc&&(++ic,n[ic]=c,o[ic]=g)}}else m[++M]=g;if(0==M){if(Ac==a.t)break;c=l[aa--]}else if(1==M)lb[m[1]]=c,c=m[1],a.b[c]=++Ac;else{l[++aa]=c;e=0;for(q=1;q<=M;++q)if(i=iG(a,m[q],c),!F[i]){e=m[q];break}if(0==e)for(q=1;q<=M;++q)if(i=iG(a,m[q],c),2==a.i[i]||3==a.i[i]){e=m[q];break}0==e&&(e=m[1]);lb[e]=c;c=e;a.b[e]=++Ac}}lb=v(E,r,-1,a.t+1,1);b=v(E,r,-1,a.t+1,1);N=v(qG,k,-1,a.t+1,2);Hd=v(qG,k,-1,a.t+1,2);f=Ac=aa=0;
for(q=1;q<=a.t;++q)if(1==a.b[q]){c=q;break}a:for(;;){0<f&&(lb[c]=f);b[++Ac]=c;for(a.b[c]=0;;){M=e=0;S=a.t+1;q=1;b:for(;q<=a.z[c];++q){g=a.G[c][q];for(z=1;z<=ic;++z)if(n[z]==g&&o[z]==c||n[z]==c&&o[z]==g)continue b;0<a.b[g]&&(++M,a.b[g]<S&&(e=g,S=a.b[g]))}if(0==e){if(0==aa)break a;Hd[c]=!0;c=l[aa--]}else break}f=c;c=e;1<M&&(l[++aa]=f,N[e]=!0)}Id=v(E,r,-1,a.u+1,1);Jd=v(E,r,-1,a.t+1,1);if(a.n.Ab){var aH=lb,pJ=ic,is,bH,oh,ye,js,ks,Ka,lj,ls;oh=v(E,r,-1,a.t+1,1);for(Ka=1;Ka<=a.t;++Ka)oh[b[Ka]]=Ka;js=v(qG,
k,-1,a.u+1,2);for(Ka=1;Ka<=a.t;++Ka)is=b[Ka],bH=aH[is],ye=iG(a,is,bH),0!=ye&&(vG(a,ye,oh,Id,F),js[ye]=!0);for(Ka=1;Ka<=a.u;++Ka)js[Ka]||vG(a,Ka,oh,Id,F);Ka=1;a:for(;Ka<=a.t;++Ka)if(!(2>a.z[Ka]||4<a.z[Ka])){ks=ls=0;for(lj=1;lj<=a.z[Ka];++lj){ye=iG(a,Ka,a.G[Ka][lj]);if(5==a.i[ye])continue a;1==a.s[ye]&&0!=wG(a,ye,Ka)&&++ls;2==a.s[ye]&&(ks=a.G[Ka][lj])}if(0!=ls)if(0<ks){var ca=a,dH=Ka,ff=oh,Sc=Jd,kc=void 0,mj=void 0,Fc=void 0,ze=void 0,Gc=void 0,Em=void 0,Fm=void 0,Gm=void 0,Nd=void 0,Tc=void 0,Uc=void 0,
ms=void 0,nj=void 0,Od=void 0,oj=void 0,Ae=void 0,pj=void 0,ns=void 0,qj=void 0,Be=void 0,eH=void 0,gf=void 0,fH=void 0,os=void 0,rj=void 0,hf=void 0,Uc=1,mj=dH,kc=v(E,r,-1,ca.t+1,1);for(kc[1]=dH;;){ms=!1;for(Tc=1;Tc<=ca.z[mj];++Tc)if(Fc=ca.G[mj][Tc],!(Fc==kc[1]||Fc==kc[Uc-1]))if(ze=iG(ca,mj,Fc),2==ca.s[ze]&&5!=ca.i[ze]){mj=kc[++Uc]=Fc;ms=!0;break}if(!ms)break}if(!(0==Uc%2||2>ca.z[kc[Uc]]||3<ca.z[kc[Uc]])){hf=kc[1];Gc=kc[~~((Uc+1)/2)];Nd=kc[Uc];gf=Be=Ae=Od=0;os=ns=!1;for(Tc=1;Tc<=ca.z[hf];++Tc)Fc=
ca.G[hf][Tc],ze=iG(ca,hf,Fc),1!=ca.s[ze]||5==ca.i[ze]||(0==Od?Od=Fc:Ae=Fc);0<ff[Ae]&&ff[Od]>ff[Ae]&&(Em=Od,Od=Ae,Ae=Em);nj=Od;0==Od&&(nj=Ae,ns=!0);for(Tc=1;Tc<=ca.z[Nd];++Tc)Fc=ca.G[Nd][Tc],ze=iG(ca,Nd,Fc),1!=ca.s[ze]||5==ca.i[ze]||(0==Be?Be=Fc:gf=Fc);0<ff[gf]&&ff[Be]>ff[gf]&&(Em=Be,Be=gf,gf=Em);qj=Be;0==Be&&(qj=gf,os=!0);oj=wG(ca,iG(ca,hf,Od),hf);pj=wG(ca,iG(ca,hf,Ae),hf);eH=wG(ca,iG(ca,Nd,Be),Nd);fH=wG(ca,iG(ca,Nd,gf),Nd);1<(0>oj+pj?-(oj+pj):oj+pj)||0!=eH||0!=fH?Sp(ca.n,"Bad stereoinfo on allene !"):
(Fm=ca.J[kc[Uc-1]]-ca.J[Nd],Gm=ca.M[kc[Uc-1]]-ca.M[Nd],rj=Math.sqrt(Fm*Fm+Gm*Gm),0.001>rj&&(rj=0.001),0<(ca.M[qj]-ca.M[kc[Uc-1]])*(Fm/rj)-(ca.J[qj]-ca.J[kc[Uc-1]])*(Gm/rj)?Sc[Gc]=1:Sc[Gc]=-1,ns&&(Sc[Gc]*=-1),os&&(Sc[Gc]*=-1),nj==Od&&0>oj&&(Sc[Gc]*=-1),nj==Ae&&0>pj&&(Sc[Gc]*=-1),ff[nj]>ff[qj]&&(Sc[Gc]*=-1))}}else b:{var lc=a,mc=Ka,qJ=aH,rJ=oh,sJ=n,tJ=o,uJ=pJ,Hm=Jd,Im=void 0,Vc=void 0,ps=void 0,ph=void 0,za=void 0,qh=void 0,rd=void 0,sj=void 0,Pd=void 0,Hb=void 0,$=void 0,yb=void 0,Ce=void 0,Jm=void 0,
Wc=void 0,ja=void 0,Km=void 0,yb=v(E,r,-1,4,1),Jm=v(E,r,-1,4,1),rh=lc,Qd=mc,gH=rJ,qs=qJ,hH=sJ,iH=tJ,vJ=uJ,zb=yb,tj=void 0,Xc=void 0,Lm=void 0,Mm=void 0,rs=void 0,uj=void 0,uj=-1;0<qs[Qd]&&(zb[++uj]=qs[Qd]);for(Xc=1;Xc<=vJ;++Xc)hH[Xc]==Qd&&(zb[++uj]=iH[Xc]),iH[Xc]==Qd&&(zb[++uj]=hH[Xc]);for(Xc=uj+1;Xc<rh.z[Qd];++Xc){rs=rh.t+1;Lm=1;c:for(;Lm<=rh.z[Qd];++Lm){tj=rh.G[Qd][Lm];for(Mm=0;Mm<Xc;++Mm)if(tj==zb[Mm])continue c;gH[tj]<rs&&(rs=gH[tj],zb[Xc]=tj)}}0==qs[Qd]&&0<rh.x[Qd]?(zb[3]=zb[2],zb[2]=zb[1],zb[1]=
zb[0],zb[0]=-1):0<rh.x[Qd]&&(zb[3]=zb[2],zb[2]=zb[1],zb[1]=-1);for(za=sj=qh=ph=Km=rd=Hb=0;4>za;++za)0>=yb[za]||(Im=iG(lc,mc,yb[za]),Jm[za]=wG(lc,Im,mc),0<Jm[za]?(++Hb,Km=yb[za],qh=yb[za]):0>Jm[za]?(++rd,ph=yb[za],qh=yb[za]):sj=yb[za]);Pd=Hb+rd;ja=v(E,r,-1,4,1);Wc=0;if(3==lc.z[mc]){if(1==Hb&&1==rd||3==Pd&&0<Hb&&0<rd){Sp(lc.n,"Error in C3H stereospecification !");break b}Ce=yb[0];1==Pd?Ce=qh:2==Pd&&(Ce=sj);$=gG(lc,mc,Ce,yb);ja[0]=qh;ja[1]=-1;ja[2]=$[2];ja[3]=$[1];0<Hb?Wc=1:Wc=-1}else if(4==lc.z[mc])if(1==
Pd)$=gG(lc,mc,qh,yb),ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],0<Hb?Wc=1:Wc=-1;else{Ce=yb[0];1<sj&&(Ce=sj);1==Hb?Ce=Km:1==rd&&(Ce=ph);$=gG(lc,mc,Ce,yb);Vc=v(E,r,-1,4,1);for(za=0;4>za;++za)Im=iG(lc,mc,$[za]),Vc[za]=wG(lc,Im,mc);if(4==Pd){if(0==Hb||0==rd){Sp(lc.n,"Error in C4 stereospecification !");break b}if(1==Hb||1==rd)ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],Wc=Vc[0];else{for(za=0;4>za;++za)-1==Vc[za]&&(Vc[za]=0);Pd=2}}else if(3==Pd)if(3==Hb||3==rd)ja[0]=$[0],ja[1]=$[3],ja[2]=$[2],ja[3]=$[1],
0<Hb?Wc=-1:Wc=1;else{1==Hb?Hb=ps=1:rd=ps=-1;for(za=0;4>za;++za)Vc[za]==ps&&(Vc[za]=0);Pd=2}if(2==Pd)if(1==Hb&&1==rd)$[1]==ph?($[1]=$[2],$[2]=$[3]):$[2]==ph&&($[2]=$[3]),ja[0]=Km,ja[1]=ph,ja[2]=$[2],ja[3]=$[1],Wc=1;else{if(Vc[0]==Vc[1]||Vc[1]==Vc[2]){Sp(lc.n,"Error in C4 stereospecification ! 2/0r");break b}0!=Vc[0]?(ja[0]=$[0],ja[1]=$[2],ja[2]=$[1],ja[3]=$[3]):(ja[0]=$[1],ja[1]=$[3],ja[2]=$[2],ja[3]=$[0]);1<Hb?Wc=1:Wc=-1}}var R=ja,vj=yb,fb=void 0;vj[0]==R[1]?(fb=R[0],R[0]=R[1],R[1]=fb,fb=R[2],R[2]=
R[3],R[3]=fb):vj[0]==R[2]?(fb=R[2],R[2]=R[0],R[0]=fb,fb=R[1],R[1]=R[3],R[3]=fb):vj[0]==R[3]&&(fb=R[3],R[3]=R[0],R[0]=fb,fb=R[1],R[1]=R[2],R[2]=fb);vj[1]==R[2]?(fb=R[1],R[1]=R[2],R[2]=fb,fb=R[2],R[2]=R[3],R[3]=fb):vj[1]==R[3]&&(fb=R[1],R[1]=R[3],R[3]=fb,fb=R[2],R[2]=R[3],R[3]=fb);ja[2]==yb[2]?Hm[mc]=1:ja[2]==yb[3]?Hm[mc]=-1:Sp(lc.n,"Error in stereoprocessing ! - t30");Hm[mc]*=Wc}}}Ta=new hC;h=v(E,r,-1,a.t+1,1);for(q=1;q<=a.t;++q)h[b[q]]=q;for(q=1;q<=a.t;++q){c=b[q];N[c]&&(Ta.b.b+=xa);0<lb[q]&&xG(a,
c,lb[c],Ta,Id);var sh=w[c],Ab=void 0,wj=void 0,th=void 0,O=void 0,O=Zc,Ab=!1;0!=a.A[c]&&(Ab=!0);0!=Jd[c]&&(Ab=!0);th=-1;for(wj=1;wj<=a.y;++wj)if(a.q[wj][0]==c){th=a.q[wj][1];break}-1<th&&(Ab=!0);a.n.zb&&0<a.c[c]&&(Ab=!0,th=1);switch(a.d[c]){case 2:O=Ib;break;case 3:sh?O="c":O=Mb;break;case 4:sh?(O=yf,0<a.x[c]&&(Ab=!0)):O=nc;break;case 5:sh?O="o":O=uc;break;case 7:sh?(O="p",0<a.x[c]&&(Ab=!0)):O=wc;break;case 8:sh?O=fg:O=Lc;break;case 13:sh?O=jg:O=Nc;Ab=!0;break;case 6:O=Oc;Ab=!0;break;case 9:O=Xb;
break;case 10:O=Qb;break;case 11:O=Lb;break;case 12:O=cc;break;case 1:O=ac;Ab=!0;break;case 19:O=xc;Ab=!0;break;case 20:O=yc;Ab=!0;break;case 21:O=Bc;Ab=!0;break;case 22:O=Cc;Ab=!0;break;case 18:Ab=!0,O=a.o[c],(C(O,Aa)||C(O,dd)||C(O,Db))&&(Ab=!1)}Ab&&(O=$c+O,1==Jd[c]?O+=Bb:-1==Jd[c]&&(O+=Cb),1==a.x[c]?O+=ac:1<a.x[c]&&(O+=ac+a.x[c]),0!=a.A[c]&&(0<a.A[c]?O+=Ba:O+=Ea,1<dj(a.A[c])&&(O+=dj(a.A[c]))),-1<th&&(O+=pb+th),O+=bd);Qm(Ta.b,O);for(z=1;z<=ic;++z)if(n[z]==c||o[z]==c)d=o[z],d==c&&(d=n[z]),h[c]<h[d]&&
xG(a,n[z],o[z],Ta,Id),9<z&&(Ta.b.b+="%"),Pm(Ta,j+(new T(z)).b);Hd[c]&&(Ta.b.b+=ya)}return Ta.b.b}
function OC(a,b){var c,d,e,f;f=0;for(e=1;e<=a.u;++e)c=a.H[e],d=a.I[e],c!=b&&d!=b&&(++f,a.H[f]=c,c>b&&--a.H[f],a.I[f]=d,d>b&&--a.I[f],a.s[f]=a.s[e],a.B[f]=a.B[e],a.K[f]=a.K[e],a.N[f]=a.N[e],a.f[f]=a.f[e]);a.u=f;for(e=b;e<a.t;++e){a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.J[e]=a.J[e+1];a.M[e]=a.M[e+1];a.x[e]=a.x[e+1];a.c[e]=a.c[e+1];a.e[e]=a.e[e+1];a.z[e]=a.z[e+1];a.o[e]=a.o[e+1];for(f=1;f<=a.z[e];++f)a.G[e][f]=a.G[e+1][f]}--a.t;if(0==a.t)nF(a.n);else{for(e=1;e<=a.t;++e){d=0;for(f=1;f<=a.z[e];++f)c=a.G[e][f],
c==b?++a.x[e]:(c>b&&--c,a.G[e][++d]=c);a.z[e]=d}e=1;a:for(;e<=a.y;++e)if(a.q[e][0]==b){for(f=e;f<a.y;++f)a.q[f][0]=a.q[f+1][0],a.q[f][1]=a.q[f+1][1];--a.y;break a}for(e=1;e<=a.y;++e)a.q[e][0]>b&&--a.q[e][0]}}
function PC(a,b){var c,d,e,f;c=a.H[b];d=a.I[b];for(e=b;e<a.u;++e)a.H[e]=a.H[e+1],a.I[e]=a.I[e+1],a.s[e]=a.s[e+1],a.B[e]=a.B[e+1],a.K[e]=a.K[e+1],a.N[e]=a.N[e+1],a.f[e]=a.f[e+1];--a.u;f=0;for(e=1;e<=a.z[c];++e)a.G[c][e]!=d&&(a.G[c][++f]=a.G[c][e]);a.z[c]=f;f=0;for(e=1;e<=a.z[d];++e)a.G[d][e]!=c&&(a.G[d][++f]=a.G[d][e]);a.z[d]=f;c<d&&(f=c,c=d,d=f);0==a.z[c]&&OC(a,c);0==a.z[d]&&OC(a,d)}
function rG(a){var b,c,d;if(!a.n.M){c=a.t;a:for(;1<=c;--c)if(d=a.G[c][1],1==a.d[c]&&1==a.z[c]&&0==a.A[c]&&1!=a.d[d]&&18>a.d[d]){for(b=1;b<=a.y;++b)if(a.q[b][0]==c)continue a;b=iG(a,c,d);1==a.s[b]&&(0==a.B[b]||!a.n.Ab)&&OC(a,c)}}}function oG(a){var b;b=a.d.length;a.G=Wq([b,7]);a.z=v(E,r,-1,b,1);for(b=1;b<=a.t;++b)a.z[b]=0;for(b=1;b<=a.u;++b)6>a.z[a.H[b]]&&(a.G[a.H[b]][++a.z[a.H[b]]]=a.I[b]),6>a.z[a.I[b]]&&(a.G[a.I[b]][++a.z[a.I[b]]]=a.H[b])}
function tG(a,b,c){var d,e,f,g,h,i,l,m,n;a.i=v(E,r,-1,a.u+1,1);n=v(qG,k,-1,a.t+1,2);for(i=1;i<=a.t;++i){n[i]=!1;b[i]=!1;a:{d=void 0;for(d=1;d<=a.z[i];++d)if(c[iG(a,i,a.G[i][d])]){d=!0;break a}d=!1}if(d&&!(3<a.z[i]+a.x[i]))switch(a.d[i]){case 3:case 4:case 7:case 5:case 8:case 13:n[i]=!0;break;case 18:n[i]=!0}}for(h=1;h<=a.u;++h)1==a.s[h]?a.i[h]=1:pG(a,h)?a.i[h]=2:3==a.s[h]&&(a.i[h]=3);h=1;a:for(;h<=a.u;++h)if(c[h]&&(f=a.H[h],g=a.I[h],n[f]&&n[g])){d=v(qG,k,-1,a.t+1,2);for(i=1;i<=a.z[f];++i)e=a.G[f][i],
e!=g&&n[e]&&(d[e]=!0);for(m=!1;;){for(i=1;i<=a.t;++i){m=!1;if(d[i]&&n[i]&&i!=f)for(l=1;l<=a.z[i];++l){e=a.G[i][l];if(e==g){b[f]=!0;b[g]=!0;a.i[h]=5;continue a}!d[e]&&n[e]&&(m=d[e]=!0)}if(m)break}if(!m)break}}}function WC(a){var b,c,d;for(d=1;d<=a.u;++d)b=a.H[d],c=a.I[d],a.K[d]=I(H(aC((a.J[b]+a.J[c])/2))),a.N[d]=I(H(aC((a.M[b]+a.M[c])/2)))}function sG(a,b){var c;for(c=1;c<=a.u;++c)AF(a,a.H[c],a.I[c])?b[c]=!1:b[c]=!0}function yF(a,b){var c;c=(eF(),jB)[a.d[b]];18==a.d[b]&&(c=a.o[b]);return c}
function pG(a,b){return 2==a.s[b]?!0:!1}function AF(a,b,c){var d,e,f,g;g=1;a.b=v(E,r,-1,a.t+1,1);for(d=1;d<=a.t;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.z[b];++d)a.G[b][d]!=c&&(a.b[a.G[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.t;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.z[d];++e)0==a.b[a.G[d][e]]&&(a.b[a.G[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
function TF(a){var b,c;a.n.P=!0;if(a.n.zb)a.k=-1,0==a.c[a.D]?a.c[a.D]=4:a.c[a.D]=0;else{for(b=1;b<=a.y;++b)if(a.D==a.q[b][0]){if(-1==a.n.w){for(;b<a.y;++b)a.q[b][0]=a.q[b+1][0],a.q[b][1]=a.q[b+1][1];--a.y}else c=a.n.w,a.n.q&&(a.n.db||++a.r,c=a.r),a.q[b][1]=c;return}b=a.q.length;++a.y>b-1&&(b=Wq([b+5,2]),iC(a.q,b,a.q.length),a.q=b);a.q[a.y][0]=a.D;c=a.n.w;a.n.q&&(a.n.db||++a.r,c=a.r);a.q[a.y][1]=c}}function hB(a){var b;a.y=0;a.r=0;YF(a);for(b=1;b<=a.t;++b)a.D=b,TF(a);a.D=0}
function LF(a){var b,c;b=v(RC,k,-1,4,1);SC(a,b);c=a.n.A.c;a.n.x||(c-=a.n.X);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function WF(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.u;++d)b=a.J[a.H[d]]-a.J[a.I[d]],c=a.M[a.H[d]]-a.M[a.I[d]],f+=Math.sqrt(b*b+c*c);0<a.u?(f/=a.u,e=25/f):1<a.t&&(e=75/Math.sqrt((a.J[1]-a.J[2])*(a.J[1]-a.J[2])+(a.M[1]-a.M[2])*(a.M[1]-a.M[2])));for(d=1;d<=a.t;++d)a.J[d]*=e,a.M[d]*=e}
function MF(a,b,c){var d,e,f,g,h;if(0==c.indexOf($c)&&bC(c,bd))c=c.substr(1,c.length-1-1),a.d[b]=18,a.o[b]=c,a.x[b]=0;else{f=!1;-1<c.indexOf(Ca)&&(f=!0);-1<c.indexOf(rb)&&(f=!0);-1<c.indexOf(oa)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(pb);e=c.indexOf(ac);g=cj(c.indexOf(Ba),c.indexOf(Ea));if(-1<d){h=Gn(c,d+1);try{a.n.w=CA(h,10)}catch(i){if(i=ii(i),y(i,112))a.n.w=0;else throw i;}a.D=b;TF(a);c=c.substr(0,d-0);a.D=0}if(f)a.o[b]=c,a.d[b]=18,a.x[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
g-0));a.d[b]=C(d,Mb)?3:C(d,Ib)?2:C(d,nc)?4:C(d,uc)?5:C(d,wc)?7:C(d,Lc)?8:C(d,Xb)?9:C(d,Qb)?10:C(d,Lb)?11:C(d,cc)?12:C(d,ac)?1:C(d,Nc)?13:C(d,Oc)?6:C(d,xc)?19:C(d,yc)?20:C(d,Bc)?21:C(d,Cc)?22:18;18==a.d[b]&&(a.o[b]=d);c+=da;d=0;0<e&&(d=1,e=KB(c,++e),48<=e&&57>=e&&(d=e-48));18==a.d[b]&&(a.x[b]=d);d=0;if(0<g&&(e=KB(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=KB(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=KB(c,g++);for(;45==e;)--d,e=KB(c,g++)}a.A[b]=d}}}
function mB(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new WA(b);try{for(;b.k=PA(b,b.b),b.k<b.j;)d=XB(CA(SA(b),10)).b,c=e=XB(CA(SA(b),10)).b,(0>c||6<c)&&(c=0),a.c[d]=c}catch(f){if(f=ii(f),y(f,112))Nm(f);else throw f;}}function xG(a,b,c,d,e){b=iG(a,b,c);5!=a.i[b]&&pG(a,b)?d.b.b+=ub:3==a.s[b]?d.b.b+=oa:9==a.s[b]?(e=xb,a=a.f[b],null!=a&&(e=a),Qm(d.b,e)):1==e[b]?d.b.b+=$a:-1==e[b]&&(d.b.b+=ad)}
function UF(a,b){var c,d;if(1==a.s[b])if(c=a.H[b],d=a.I[b],2>a.z[c]&&2>a.z[d])a.B[b]=0,Sp(a.n,"Stereomarking meaningless on this bond !");else switch(a.B[b]){case 0:a.z[d]<=a.z[c]?a.B[b]=1:a.B[b]=3;break;case 1:a.B[b]=2;break;case 2:2<a.z[d]?a.B[b]=3:a.B[b]=1;break;case 3:a.B[b]=4;break;case 4:2<a.z[c]?a.B[b]=1:a.B[b]=3}else 2==a.s[b]?10==a.B[b]?a.B[b]=0:a.B[b]=10:Sp(a.n,"Stereomarking allowed only on single and double bonds!")}
function vG(a,b,c,d,e){var f,g,h,i,l,m,n,o,q;if(!(2!=a.s[b]||5==a.i[b])&&(10==a.B[b]||a.n.p&&!e[b]))if(e=a.H[b],f=a.I[b],!(2>a.z[e]||2>a.z[f]||3<a.z[e]||3<a.z[f])){c[e]>c[f]&&(g=e,e=f,f=g);n=m=b=0;o=!1;for(l=1;l<=a.z[e];++l)g=a.G[e][l],g!=f&&(0==m?m=g:n=g);0<n&&c[m]>c[n]&&(g=m,m=n,n=g);i=iG(a,e,m);0!=d[i]?b=m:1==a.s[i]&&5!=a.i[i]&&(b=m);0==b&&(i=iG(a,e,n),0!=d[i]?b=n:1==a.s[i]&&5!=a.i[i]&&(b=n));c[b]>c[e]&&(o=!0);h=n=m=0;for(l=1;l<=a.z[f];++l)g=a.G[f][l],g!=e&&(0==n?n=g:h=g);0<h&&c[n]<c[h]&&(g=n,
n=h,h=g);i=iG(a,f,n);1==a.s[i]&&5!=a.i[i]&&0==d[i]&&(m=n);0==m&&(i=iG(a,f,h),1==a.s[i]&&5!=a.i[i]&&(m=h));if(!(0==b||0==m))if(i=a.J[f]-a.J[e],g=a.M[f]-a.M[e],l=Math.sqrt(i*i+g*g),0.001>l&&(l=0.001),g/=l,i/=l,n=(a.M[b]-a.M[e])*i-(a.J[b]-a.J[e])*g,q=(a.M[m]-a.M[e])*i-(a.J[m]-a.J[e])*g,2>(0>=n?0-n:n)||2>(0>=q?0-q:q))Sp(a.n,"Not unique E/Z geometry !");else{h=iG(a,b,e);f=iG(a,m,f);m=1;if(0==d[h]){for(l=1;l<=a.z[b];++l)if(g=a.G[b][l],g!=e&&(i=iG(a,b,g),0!=d[i])){c[g]>c[b]?m=-d[i]:m=d[i];break}d[h]=m}0==
d[f]&&(0<n&&0<q||0>n&&0>q?d[f]=-d[h]:d[f]=d[h],o&&(d[f]=-d[f]))}}}function nG(a,b){var c,d,e;e=0;for(d=1;d<=a.z[b];++d)if(c=iG(a,b,a.G[b][d]),1==a.s[c])e+=1;else if(pG(a,c))e+=2;else if(3==a.s[c])e+=3;else if(9==a.s[c])return-1;return e}function wG(a,b,c){var d;d=a.B[b];return 1>d||4<d?0:1==d&&a.H[b]==c?1:2==d&&a.H[b]==c?-1:3==d&&a.I[b]==c?1:4==d&&a.I[b]==c?-1:0}
function XC(a){var b;for(b=1;b<=a.t;++b){var c=a,d=b,e=void 0,e=nG(c,d);if(-1==e)c.x[d]=0;else{switch(c.d[d]){case 1:2==e?c.A[d]=1:c.A[d]=0;c.x[d]=0;break;case 2:3==e||5==e?(c.x[d]=0,c.A[d]=0):3>e?c.x[d]=3-e-c.A[d]:4==e?(c.A[d]=-1,c.x[d]=0):5<e&&(c.A[d]=e-5,c.x[d]=0);break;case 3:case 6:4>e?0<c.A[d]?c.x[d]=2-e+c.A[d]:0>c.A[d]?c.x[d]=2-e-c.A[d]:c.x[d]=4-e:(c.A[d]=e-4,c.x[d]=4-e+c.A[d]);break;case 4:case 7:3>e?c.x[d]=3-e+c.A[d]:3==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:(c.A[d]=
4==e?1:6==e?-1:e-5,c.x[d]=0);break;case 5:2==e&&(0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0);2<e&&(c.A[d]=e-2);c.x[d]=2-e+c.A[d];break;case 8:case 13:2>e?c.x[d]=2-e+c.A[d]:2==e?0>c.A[d]?(c.A[d]=0,c.x[d]=0):0<c.A[d]?c.x[d]=c.A[d]:c.x[d]=0:3==e?2==c.z[d]?(c.A[d]=0,c.x[d]=1):(c.A[d]=1,c.x[d]=0):4==e?(c.A[d]=0,c.x[d]=0):5==e?(c.A[d]=0,c.x[d]=1):(c.A[d]=e-6,c.x[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.A[d]=e-1);c.x[d]=1-e+c.A[d];2<e&&(c.A[d]=0,c.x[d]=0);break;case 19:case 18:c.x[d]=
0}0>c.x[d]&&(c.x[d]=0)}}}function oF(a){fG(this);this.n=a;this.y=this.u=this.t=0}
function EF(a,b){var c,d,e,f,g,h,i;oF.call(this,a);f=j;h=CF(b);if(null!=h){i=new VA(b,h,!0);for(e=1;4>=e;++e)f=DF(i,h);g=XB(CA(yn(f.substr(0,3)),10)).b;c=XB(CA(yn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)VF(this),f=DF(i,h),this.J[e]=(new WB(TB(yn(f.substr(0,10))))).b,this.M[e]=-(new WB(TB(yn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=yn(f.substr(31,d-31)),MF(this,e,d),62<=f.length&&(f=yn(f.substr(60,3)),0<f.length&&(f=XB(CA(f,10)).b,0<f&&(this.D=e,a.w=f,TF(this),this.D=0)));for(e=1;e<=c;++e)UC(this),
f=DF(i,h),this.H[e]=XB(CA(yn(f.substr(0,3)),10)).b,this.I[e]=XB(CA(yn(f.substr(3,3)),10)).b,g=XB(CA(yn(f.substr(6,3)),10)).b,1==g?this.s[e]=1:2==g?this.s[e]=2:3==g?this.s[e]=3:this.s[e]=9,d=0,11<f.length&&(d=XB(CA(yn(f.substr(9,3)),10)).b),1==g&&1==d&&(this.s[e]=1,this.B[e]=1),1==g&&6==d&&(this.s[e]=1,this.B[e]=2);oG(this);WF(this);mF(this);for(yB(this);(i.k=PA(i,i.b),i.k<i.j)&&!(null==(f=SA(i)));){if(0==f.indexOf("M  END"))break;if(0==f.indexOf("M  CHG")){g=new UA(f);SA(g);SA(g);h=XB(CA(SA(g),10)).b;
for(e=1;e<=h;++e)c=XB(CA(SA(g),10)).b,this.A[c]=XB(CA(SA(g),10)).b}if(0==f.indexOf("M  APO")){g=new UA(f);SA(g);SA(g);h=XB(CA(SA(g),10)).b;for(e=1;e<=h;++e)c=XB(CA(SA(g),10)).b,f=XB(CA(SA(g),10)).b,this.D=c,X(this,0),MF(this,this.t,xc+f),this.D=0}}rG(this);yB(this)}}
function xB(a,b){var c,d,e,f,g;oF.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));bC(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.t=0;else{try{f=new UA(b);d=XB(CA(SA(f),10)).b;e=XB(CA(SA(f),10)).b;for(c=1;c<=d;++c)g=SA(f),VF(this),MF(this,this.t,g),this.J[c]=(new WB(TB(SA(f)))).b,this.M[c]=-(new WB(TB(SA(f)))).b;for(c=1;c<=e;++c)if(UC(this),this.H[c]=XB(CA(SA(f),10)).b,this.I[c]=XB(CA(SA(f),10)).b,this.s[c]=XB(CA(SA(f),10)).b,-1==this.s[c])this.s[c]=1,this.B[c]=1;else if(-2==this.s[c])this.s[c]=
1,this.B[c]=2;else if(-5==this.s[c])this.s[c]=2,this.B[c]=10;else if(11==this.s[c]||12==this.s[c]||13==this.s[c]||14==this.s[c])this.B[c]=this.s[c],this.s[c]=9;oG(this);WF(this);mF(this)}catch(h){h=ii(h);if(y(h,112)){h.sc();this.t=0;return}throw h;}rG(this);yB(this)}}
function GF(a,b,c){var d,e,f;oF.call(this,a);f=v(E,r,-1,b.t+1,1);for(a=1;a<=b.t;++a)b.b[a]==c&&(VF(this),this.d[this.t]=b.d[a],this.J[this.t]=b.J[a],this.M[this.t]=b.M[a],this.A[this.t]=b.A[a],this.x[this.t]=b.x[a],this.c[this.t]=b.c[a],this.e[this.t]=b.e[a],this.o[this.t]=b.o[a],f[a]=this.t);for(a=1;a<=b.u;++a)if(d=b.H[a],e=b.I[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))UC(this),this.s[this.u]=b.s[a],this.B[this.u]=b.B[a],this.H[this.u]=f[d],this.I[this.u]=f[e],this.f[this.u]=b.f[a];for(a=
1;a<=b.y;++a)d=b.q[a][0],d==c&&(++this.y,this.q[this.y][0]=f[d],this.q[this.y][1]=b.q[a][1]);this.k=b.k;yB(this);mF(this)}
function PF(a,b,c){var d,e,f,g,h;oF.call(this,a);for(a=1;a<=c;++a)this.t+=b[a].t,this.u+=b[a].u,this.y+=b[a].y;this.d=v(E,r,-1,this.t+1,1);this.A=v(E,r,-1,this.t+1,1);this.x=v(E,r,-1,this.t+1,1);this.c=v(E,r,-1,this.t+1,1);this.e=v(gr,k,1,this.t+1,0);this.J=v(RC,k,-1,this.t+1,1);this.M=v(RC,k,-1,this.t+1,1);this.o=v(gr,k,1,this.t+1,0);this.H=v(E,r,-1,this.u+1,1);this.I=v(E,r,-1,this.u+1,1);this.s=v(E,r,-1,this.u+1,1);this.f=v(gr,k,1,this.u+1,0);this.B=v(E,r,-1,this.u+1,1);this.q=Wq([this.y+1,2]);
f=h=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].t;++d)++e,this.d[e]=b[a].d[d],this.J[e]=b[a].J[d],this.M[e]=b[a].M[d],this.A[e]=b[a].A[d],this.x[e]=b[a].x[d],this.c[e]=b[a].c[d],this.e[e]=b[a].e[d],this.o[e]=b[a].o[d];for(d=1;d<=b[a].u;++d)++g,this.s[g]=b[a].s[d],this.B[g]=b[a].B[d],this.H[g]=b[a].H[d]+f,this.I[g]=b[a].I[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].y;++d)++h,this.q[h][0]=b[a].q[d][0]+f,this.q[h][1]=b[a].q[d][1];f=e}yB(this);mF(this)}
function kF(a){var b;fG(this);this.n=a.n;this.t=a.t;this.u=a.u;this.y=a.y;this.d=v(E,r,-1,this.t+1,1);iC(a.d,this.d,this.t+1);this.A=v(E,r,-1,this.t+1,1);iC(a.A,this.A,this.t+1);this.x=v(E,r,-1,this.t+1,1);iC(a.x,this.x,this.t+1);this.c=v(E,r,-1,this.t+1,1);iC(a.c,this.c,this.t+1);this.e=v(gr,k,1,this.t+1,0);iC(a.e,this.e,this.t+1);this.J=v(RC,k,-1,this.t+1,1);iC(a.J,this.J,this.t+1);this.M=v(RC,k,-1,this.t+1,1);iC(a.M,this.M,this.t+1);this.o=v(gr,k,1,this.t+1,0);iC(a.o,this.o,this.t+1);this.H=v(E,
r,-1,this.u+1,1);iC(a.H,this.H,this.u+1);this.I=v(E,r,-1,this.u+1,1);iC(a.I,this.I,this.u+1);this.s=v(E,r,-1,this.u+1,1);iC(a.s,this.s,this.u+1);this.f=v(gr,k,1,this.u+1,0);iC(a.f,this.f,this.u+1);this.B=v(E,r,-1,this.u+1,1);iC(a.B,this.B,this.u+1);this.q=Wq([this.y+1,2]);for(b=1;b<=this.y;++b)this.q[b][0]=a.q[b][0],this.q[b][1]=a.q[b][1];this.k=a.k}
function XF(a,b,c){var d,e,f;if(0==c)return NF(G(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=I(H(aC(a*Math.pow(10,c))))/Math.pow(10,c);e=j+(new WB(a)).b;d=zn(e,An(46));0>d&&(e+=Za,d=zn(e,An(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=db;if(0==b)return e;e.length>b&&(e=xb);c=j;for(a=1;a<=b-e.length;++a)c+=da;return c+e}function CF(a){var b;b=new VA(a,ba,!0);if(4<OA(b))return ba;b=new VA(a,Vg,!0);return 4<OA(b)?Vg:null}
function NF(a,b){var c,d,e;d=j+(new T(a)).b;d.length>b&&(d=xb);e=j;for(c=1;c<=b-d.length;++c)e+=da;return e+d}function DF(a,b){for(var c,d;a.k=PA(a,a.b),a.k<a.j;){d=SA(a);if(C(d,b))return da;for(SA(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return da}else break;return d}return null}s(540,1,{127:1},oF,EF,xB,GF,PF,kF);_.b=null;_.i=null;_.k=0;_.n=null;_.p=!1;_.r=0;_.t=0;_.u=0;_.v=0;_.w=!1;_.y=0;_.C=!1;_.D=0;_.E=0;_.F=0;_.L=0;_.O=0;
function Tp(){Tp=u;Up=new Wz(ac)}
function JF(a,b){var c;Tp();var d;aF.call(this);this.b=new zy("help");this.c=b;L(this,(eF(),rB));this.Tb&&rz(this.Tb.d,!1);oz(this,!1);d=jx(b);if(1==a)yG||(yG=new Kz(d),lx(yG,-80,-100)),this.i=yG,c=uB(b),this.Tb&&qz(this.Tb.d.I.c,Mc),Qx(this,new uy(2)),this.d=new Wz(c+"     "),P(this,this.d,Pb),d=new Ux,P(d,this.f,null),this.c.ub&&(c=new zy("Submit"),P(d,c,null)),P(this,d,Pc),Vz(this.d,yn(Ln(this.d.Tb.b.pb,Ng))),this.Tb&&rz(this.Tb.d,!0),oz(this,!0);else if(2==a)zG||(zG=new Kz(d),lx(zG,-120,13*b.X-
80)),this.i=zG,this.Tb&&qz(this.Tb.d.I.c,"nonstandard atom"),Qx(this,new uy(2)),c=new Ux,P(c,new Dz("atomic SMILES",1),null),P(this,c,sc),c=ac,Up&&(c=Ln(Up.Tb.b.pb,Ng)),Up=new Xz(c,8),P(this,Up,Pb),c=new Ux,P(c,this.f,null),P(this,c,Pc);else{AG||(AG=new Kz(d),lx(AG,12*b.X+10,-20));var e,f;d="about "+(eF(),bB);this.Tb&&qz(this.Tb.d.I.c,d);Qx(this,new zz(0));L(this,rB);P(this,new Dz(bB+" Molecular Editor v2013.01",1),null);P(this,new Dz("Peter Ertl and Bruno Bienfait",1),null);for(c=fF,e=0,f=c.length;e<
f;++e)d=c[e],P(this,new Dz(d,1),null);c=new Ux;P(c,this.b,null);P(c,this.f,null);P(this,c,null);this.i=AG}nz(this);c=this.i;aE(this.Tb.d,c.b,c.c);!ix(this)&&Nx(this);xx(this)}s(541,532,Ih,JF);_.qf=function(a){var b,c;if(a.i==this.b){try{b=new wA(this.c.G),c=vA(b),$wnd.open(c,"_top ",j)}catch(d){if(d=ii(d),y(d,104))b=d,oA(),a=this.c,b=b.i,a.gb=!0,a.I="ERROR - "+b;else throw d;}return!0}return!1};_.c=null;var AG=_.d=null,Up,zG=null,yG=null;function BG(a,b){hx(b)==a.b?L(b,(Fy(),Ny)):L(b,a.b)}
function CG(a){var b,c,d,e;e=j;d=!1;hx(DG)!=a.b?(e=Aa,d=!0):hx(EG)!=a.b?(e="!#6",d=!0):hx(FG)!=a.b?(L(GG,(Fy(),Ny)),L(HG,Ny),L(IG,Ny),L(JG,Ny),e="F,Cl,Br,I"):(b=hx(KG)!=a.b,c=hx(LG)!=a.b,hx(MG)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),hx(NG)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),hx(OG)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),hx(PG)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),hx(QG)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),hx(GG)!=a.b&&(e+="F,"),hx(HG)!=a.b&&(e+="Cl,"),hx(IG)!=a.b&&(e+="Br,"),hx(JG)!=a.b&&(e+="I,"),
bC(e,Ca)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.c&&(b?e=dd:c?e=Db:(L(DG,(Fy(),Ny)),e=Aa)));b=j;d&&hx(KG)!=a.b&&(b+=";a");d&&hx(LG)!=a.b&&(b+=";A");hx(RG)!=a.b&&(b+=";R");hx(SG)!=a.b&&(b+=";!R");hx(DG)!=a.b&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=TG.Tb.b.pb.selectedIndex;0<d&&(--d,e+=";H"+d);d=UG.Tb.b.pb.selectedIndex;0<d&&(--d,e+=";D"+d);hx(VG)!=a.b&&(e="~");hx(WG)!=a.b&&(e=pb);hx(XG)!=a.b&&(e=Bb);hx(YG)!=a.b&&(e="!@");Vz(a.e,e)}
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